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Information card for entry 20000421
Preview
| Coordinates | 20000421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H16 O20 V4 |
|---|---|
| Calculated formula | C32 H16 O20 V4 |
| Title of publication | Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles |
| Authors of publication | Vanpoucke, Danny E P; Jaeken, Jan W; De Baerdemacker, Stijn; Lejaeghere, Kurt; Van Speybroeck, Veronique |
| Journal of publication | Beilstein Journal of Nanotechnology |
| Year of publication | 2014 |
| Journal volume | 5 |
| Pages of publication | 1738 |
| a | 16.3511 Å |
| b | 13.90337 Å |
| c | 6.8499 Å |
| α | 90° |
| β | 90.1079° |
| γ | 90° |
| Cell volume | 1557.22 Å3 |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 513 (current) | 2015-10-16 | cif/ Redefining units of _dft_bulk_modulus as gigapascals in cif_dft.dic. Accordingly, changing the values in CIF files. |
20000421.cif |
| 308 | 2015-10-02 | cif/20/00/04/ Adding computational details from the original publication. |
20000421.cif |
| 305 | 2015-09-30 | cif/ Adding structures of 20000419, 20000420, 20000421, 20000422, 20000423 via cif-deposit CGI script. |
20000421.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.